1,1-dimethoxypropane;toluene

C12H20O2 — CID 91421331

IUPAC1,1-dimethoxypropane;toluene
SMILESCCC(OC)OC.Cc1ccccc1
InChIInChI=1S/C7H8.C5H12O2/c1-7-5-3-2-4-6-7;1-4-5(6-2)7-3/h2-6H,1H3;5H,4H2,1-3H3
InChIKeyYOTIDRDOERHSKY-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.01
Rot. Bonds3

About 1,1-dimethoxypropane;toluene

1,1-dimethoxypropane;toluene (PubChem CID 91421331) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,1-dimethoxypropane;toluene.

Molecular Properties

Compound Name1,1-dimethoxypropane;toluene
PubChem CID91421331
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1,1-dimethoxypropane;toluene
SMILESCCC(OC)OC.Cc1ccccc1
InChIInChI=1S/C7H8.C5H12O2/c1-7-5-3-2-4-6-7;1-4-5(6-2)7-3/h2-6H,1H3;5H,4H2,1-3H3
InChIKeyYOTIDRDOERHSKY-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxypropane;toluene?
The IUPAC name of 1,1-dimethoxypropane;toluene (CID 91421331) is 1,1-dimethoxypropane;toluene.
What is the SMILES notation for 1,1-dimethoxypropane;toluene?
The canonical SMILES for 1,1-dimethoxypropane;toluene is CCC(OC)OC.Cc1ccccc1.
What is the InChIKey of 1,1-dimethoxypropane;toluene?
The InChIKey is YOTIDRDOERHSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H12O2/c1-7-5-3-2-4-6-7;1-4-5(6-2)7-3/h2-6H,1H3;5H,4H2,1-3H3.
What are the key properties of 1,1-dimethoxypropane;toluene?
1,1-dimethoxypropane;toluene has a molecular weight of 196.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxypropane;toluene is sourced from PubChem (CID 91421331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).